Reliable Prediction of Molecular Electronic Excitation Energies

Highly Fluorescent Pyridinium Betaines for Light Harvesting

J Xu, B Zhang, M Jansen, L Goerigk, WWH Wong, C Ritchie

2017-10-23

We report the findings of our experimental and theoretical investigations into the properties of pyridinium enolates and their pot..

Hoch fluoreszierende Pyridiniumbetaine für die Lichtsammlung

Jingjing Xu, Bolong Zhang, Marina Jansen, Lars Goerigk, Wallace WH Wong, Chris Ritchie

2017-10-23

<jats:title>Abstract</jats:title><jats:p>Die Ergebnisse experimenteller und theoretischer Untersuchungen der Eigenschaften von Pyr..

Time-dependent double-hybrid density functionals with spin-component and spin-opposite scaling

Tobias Schwabe, Lars Goerigk

2017-09-12

For the first time, we combine time-dependent double-hybrid density functional approximations (TD-DHDFAs) for the calculation of e..